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Geometry for MgSO4 (Magnesium Sulfate) 1A1 C2V

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InChI=1/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2/fMg.O4S/qm;-2/rMgO4S/c2-6(3)4-1-5-6 INChIKey=CSNNHWWHGAXBCP-FBDJLLOLNA-L

MP2/TZVP


Point group is C2v
Atom Internal Principal
x (Å) y (Å) z (Å)   a (Å) b (Å) c (Å)
Mg1 0.0000 0.0000 -1.9244   -1.9244 0.0000 0.0000
S2 0.0000 0.0000 0.5963   0.5963 0.0000 0.0000
O3 0.0000 1.2185 -0.4809   -0.4809 0.0000 1.2185
O4 0.0000 -1.2185 -0.4809   -0.4809 0.0000 -1.2185
O5 -1.2641 0.0000 1.3278   1.3278 -1.2641 0.0000
O6 1.2641 0.0000 1.3278   1.3278 1.2641 0.0000
Atom - Atom Distances (Å)
  Mg1 S2 O3 O4 O5 O6
Mg1 2.5207 1.8890 1.8890 3.4892 3.4892
S2 2.5207 1.6264 1.6264 1.4605 1.4605
O3 1.8890 1.6264 2.4370 2.5207 2.5207
O4 1.8890 1.6264 2.4370 2.5207 2.5207
O5 3.4892 1.4605 2.5207 2.5207 2.5282
O6 3.4892 1.4605 2.5207 2.5207 2.5282
Maximum atom distance is 3.4892Å between atoms Mg1 and O5.
picture of Magnesium Sulfate
Calculated Bond Angles (degrees) (Ignoring Hydrogens)
atom1 atom2 atom3 angle         atom1 atom2 atom3 angle
Mg1 O3 S2 91.311 Mg1 O4 S2 91.311
O3 Mg1 O4 80.337 O3 S2 O4 97.041
O3 S2 O5 109.374 O3 S2 O6 109.374
O4 S2 O5 109.374 O4 S2 O6 109.374
O5 S2 O6 119.888

For information on specific bond angles or dihedrals see the geometry comparison page in section Comparisons > Geometry > Bonds, angles.